2-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl-methyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(5-chloranyl-2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)ethanoyl-methyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(5-chloro-2-oxo-3-phenyl-benzofuran-3-yl)acetyl]-methyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(5-chloro-2-oxo-3-phenyl-3-benzofuranyl)-1-oxoethyl]-methylamino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(5-chloro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetyl]-methylamino]-4-methylpentanoic acid Traditional Name: 2-[[2-(5-chloro-2-keto-3-phenyl-coumaran-3-yl)acetyl]-methyl-amino]-4-methyl-valeric acid Formula: C23H24ClNO5 MolecularWeight: 429.89336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C)C(=O)CC1(C2=C(C=CC(=C2)Cl)OC1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)N(C)C(=O)CC1(C2=C(C=CC(=C2)Cl)OC1=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24ClNO5/c1-14(2)11-18(21(27)28)25(3)20(26)13-23(15-7-5-4-6-8-15)17-12-16(24)9-10-19(17)30-22(23)29/h4-10,12,14,18H,11,13H2,1-3H3,(H,27,28)